ZhenfaZheng / NAMDinMomentumSpaceLinks
Take electron-phonon interaction as non-adiabatic coupling to do non-adiabatic molecular dynamics simulation.
☆7Updated last year
Alternatives and similar repositories for NAMDinMomentumSpace
Users that are interested in NAMDinMomentumSpace are comparing it to the libraries listed below
Sorting:
- Calculating electron-phonon couplings with DFTB.☆10Updated 3 weeks ago
- Automatic construction of wannier functions for any 3D transition metal based system with or without SOC☆13Updated 3 years ago
- Optimized Norm-Conserving Vanderbilt Pseudopotential for Quantum Espresso in UPF format☆12Updated 3 years ago
- ☆31Updated 2 months ago
- Useful tools integrated for VASP/Wannier90 interface☆12Updated 2 years ago
- ☆29Updated last year
- Unfolding the band structure of a supercell obtained with VASP☆25Updated 2 years ago
- A library of Python modules for reading/writing and manipulating data associated with the wannier90 code☆14Updated 4 years ago
- A Fortran90 program for unfolding phonon dispersions☆10Updated 5 years ago
- Hefei-NAMD is an ab initio non-adiabatic molecular dynamics program based on time-dependent density-functional theory and surface hopping…☆22Updated 2 years ago
- ☆13Updated 7 years ago
- band unfolding using quantum espresso☆10Updated 2 years ago
- Julia codes to play with Phonons☆24Updated 6 years ago
- create wavefunction file from selected spin, kpoint and band index in VASP wavecar☆14Updated 3 years ago
- A phonon irreducible representations calculator☆22Updated last year
- Transition Dipole Moments from VASP WAVECAR☆25Updated 2 years ago
- Tutorial for Wannier2022☆16Updated 2 months ago
- DMFTwDFT: An open-source code combining Dynamical Mean Field Theory with various Density Functional Theory packages☆58Updated 3 years ago
- Symmetry analysis and symmetrize in Wannier orbitals☆41Updated last year
- A VASP and Wannier90 interfaced tool for projection analysis and fully automated dis energy window optimization☆40Updated 11 months ago
- Code for the Selected Columns of the Density Matrix suite of algorithms☆13Updated 6 years ago
- Python version ofthe BandUP code☆26Updated 9 months ago
- Construct phonon tight-binding model and calculate its topological properties☆27Updated 5 years ago
- A python package of utils for DFT, Tight binding, etc.☆16Updated 2 months ago
- A python project for quasi-harmonic properties calculations☆9Updated 7 years ago
- Python scripts for plot band structure from Quantum Espresso (pwscf) bands.x output files☆17Updated last year
- Python modules for electron–phonon models☆33Updated last month
- Installation steps for various programs like VASP, LAMMPS, Quantum Espresso, Siesta in parallel☆15Updated 5 years ago
- Unfolding of first-principle electronic band structure☆14Updated 2 years ago
- Tight-binding parameter fitting package (TBFIT) for Slater-Koster method☆30Updated 2 years ago